3-methyl-3-(piperidine-1-carbonylamino)butanoic acid

C11H20N2O3 — CID 64701995

IUPAC3-methyl-3-(piperidine-1-carbonylamino)butanoic acid
SMILESCC(C)(CC(=O)O)NC(=O)N1CCCCC1
InChIInChI=1S/C11H20N2O3/c1-11(2,8-9(14)15)12-10(16)13-6-4-3-5-7-13/h3-8H2,1-2H3,(H,12,16)(H,14,15)
InChIKeyLYLZOJFBZKFCFP-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.44
Rot. Bonds3

About 3-methyl-3-(piperidine-1-carbonylamino)butanoic acid

3-methyl-3-(piperidine-1-carbonylamino)butanoic acid (PubChem CID 64701995) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 3-methyl-3-(piperidine-1-carbonylamino)butanoic acid.

Molecular Properties

Compound Name3-methyl-3-(piperidine-1-carbonylamino)butanoic acid
PubChem CID64701995
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name3-methyl-3-(piperidine-1-carbonylamino)butanoic acid
SMILESCC(C)(CC(=O)O)NC(=O)N1CCCCC1
InChIInChI=1S/C11H20N2O3/c1-11(2,8-9(14)15)12-10(16)13-6-4-3-5-7-13/h3-8H2,1-2H3,(H,12,16)(H,14,15)
InChIKeyLYLZOJFBZKFCFP-UHFFFAOYSA-N
XLogP1.44
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-methyl-3-(piperidine-1-carbonylamino)butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-3-(pyrrolidine-1-carbonylamino)butanoic acid
CID 64700424
3-methyl-3-[(4-methylazepane-1-carbonyl)amino]butanoic acid
CID 64700727
N-(4-amino-2-methyl-4-oxobutan-2-yl)pyrrolidine-1-carboxamide
CID 106096157
3-[(4-tert-butylazepane-1-carbonyl)amino]-3-methylbutanoic acid
CID 64701528
N-(2-methylbutan-2-yl)azepane-1-carboxamide
CID 116653730
3-methyl-3-[(4-methylpiperidine-1-carbonyl)amino]butanoic acid
CID 64700228
3-[[4-(2-hydroxyethyl)piperazine-1-carbonyl]amino]-3-methylbutanoic acid
CID 64700072
3-[(3-aminopiperidine-1-carbonyl)amino]-3-methylbutanoic acid
CID 64701839
2-(azepane-1-carbonylamino)-2-methylbutanoic acid
CID 79793590
3-methyl-3-[(5-oxo-1,4-diazepane-1-carbonyl)amino]butanoic acid
CID 64699564
3-methyl-3-[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]butanoic acid
CID 114411887
2-(azepane-1-carbonylamino)-2-methylpentanoic acid
CID 61188531

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(piperidine-1-carbonylamino)butanoic acid?
The IUPAC name of 3-methyl-3-(piperidine-1-carbonylamino)butanoic acid (CID 64701995) is 3-methyl-3-(piperidine-1-carbonylamino)butanoic acid.
What is the SMILES notation for 3-methyl-3-(piperidine-1-carbonylamino)butanoic acid?
The canonical SMILES for 3-methyl-3-(piperidine-1-carbonylamino)butanoic acid is CC(C)(CC(=O)O)NC(=O)N1CCCCC1.
What is the InChIKey of 3-methyl-3-(piperidine-1-carbonylamino)butanoic acid?
The InChIKey is LYLZOJFBZKFCFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-11(2,8-9(14)15)12-10(16)13-6-4-3-5-7-13/h3-8H2,1-2H3,(H,12,16)(H,14,15).
What are the key properties of 3-methyl-3-(piperidine-1-carbonylamino)butanoic acid?
3-methyl-3-(piperidine-1-carbonylamino)butanoic acid has a molecular weight of 228.29 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(piperidine-1-carbonylamino)butanoic acid is sourced from PubChem (CID 64701995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).